3,4,5-trimethoxy-2-nitro-N-prop-2-ynyl-benzamide

Systemtic Name: 3,4,5-trimethoxy-2-nitro-N-prop-2-ynyl-benzamide Openeye Name: 3,4,5-trimethoxy-2-nitro-N-prop-2-ynyl-benzamide CAS Name: 3,4,5-trimethoxy-2-nitro-N-prop-2-ynylbenzamide IUPAC Name: 3,4,5-trimethoxy-2-nitro-N-prop-2-ynylbenzamide Traditional Name: 3,4,5-trimethoxy-2-nitro-N-propargyl-benzamide Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCC#C)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCC#C)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C13H14N2O6/c1-5-6-14-13(16)8-7-9(19-2)11(20-3)12(21-4)10(8)15(17)18/h1,7H,6H2,2-4H3,(H,14,16)